Spektraris NMR
Methyl labd-7-en-15-oate
Common Name: Methyl labd-7-en-15-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O2/c1-15(14-19(22)23-6)8-10-17-16(2)9-11-18-20(3,4)12-7-13-21(17,18)5/h9,15,17-18H,7-8,10-14H2,1-6H3/t15?,17-,18-,21+/m0/s1
InChIKey: InChIKey=LWPPDVAQDDYKML-GVTIRNABSA-N
Formula: C21H36O2
Molecular Weight: 320.510131
Exact Mass: 320.27153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - David, J.P., Ferrari, J., David, J.M., Guimar√£es, A.G., Lima, F.W.d.M., Souza, G.L.S.d. J Braz Chem Soc (2007) 18, 1585-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 39.2 |
| 2 (CH2) | 19 |
| 3 (CH2) | 42.2 |
| 4 (C) | 32.7 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 23.8 |
| 7 (CH) | 122.1 |
| 8 (C) | 135.1 |
| 9 (CH) | 49.8 |
| 10 (C) | 36.6 |
| 11 (CH2) | 25.3 |
| 12 (CH2) | 37.1 |
| 13 (CH) | 30.8 |
| 14 (CH2) | 41.7 |
| 15 (C) | 172.9 |
| 16 (CH3) | 18.5 |
| 17 (CH3) | 22.2 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 13.5 |
| 15a (CH3) | 51.7 |
